Understanding the color change of the solutions of Cp2TiCl upon addition of water

Reduction of red bis (cyclopentadienyl)titanium (IV) dichloride (Cp2TiCl2) with manganese dust in dry THF produces a green solution that turns deep blue upon the addition of traces of water. Mass spectrometric analysis and DFT calculations have been performed to achieve a better understanding of the species that may be present after the interaction of water with reduced Cp2TiCl2. The deep blue solution provides a handy visual indicator for the qualitative determination of water in THF.

Automated summary

Reduction of Cp2TiCl2 with manganese dust in dry THF results in a green solution that turns deep blue when traces of water are added. Mass spectrometric analysis and DFT calculations were used to gain a better understanding of the species present after water interacts with reduced Cp2TiCl2. The deep blue solution serves as a convenient visual indicator for qualitative determination of water in THF.